Salinomycin

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Systematic / IUPAC Name: (2R)-2-{(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-{(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-Ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl}-3-hydroxy-4-methyl-5-oxo-2-octanyl]-5-methyltetrahydro-2H-pyran-2-yl}butanoic acid

ID: Reference5177

Other Names: Bio-cox;
Coxistac;
Procoxacin;
2H-Pyran-2-acetic acid, α-ethyl-6-((1S,2S,3S,5R)-5-{(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl}-2-hydroxy-1,3-dimethyl-4-oxoheptyl)tetrahydro-5-methyl-, (αR,2R,5S,6R)-

Formula: C42H70O11

Class: Therapeutics/Prescription Drugs

Spectral Data

Salinomycin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 188
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/15/2016 11:12:53 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-/m0/s1
InChI Key KQXDHUJYNAXLNZ-XQSDOZFQSA-N
Canonical SMILES CCC(C1CCC(C(O1)C(C)C(C(C)C(=O)C(CC)C2C(CC(C3(O2)C=CC(C4(O3)CCC(O4)(C)C5CCC(C(O5)C)(CC)O)O)C)C)O)C)C(=O)O
CAS 53003104
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Other Names Bio-cox;
Coxistac;
Procoxacin;
2H-Pyran-2-acetic acid, α-ethyl-6-((1S,2S,3S,5R)-5-{(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl}-2-hydroxy-1,3-dimethyl-4-oxoheptyl)tetrahydro-5-methyl-, (αR,2R,5S,6R)-

In Other Databases

ChemSpider 2342058
ChemIDPlus 055721318
KEGG D08502; C15690
Wikipedia Salinomycin
PubChem 3085092
ChEMBL CHEMBL1208572
ChEBI CHEBI:80025